Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10202933 | 0.85 | TSHR (0.44) | TSHRCYP2D6SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL14771962 | 0.81 | TSHR (0.48) | TSHRCYP2D6SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL13310631 | 0.80 | TSHR (0.43) | TSHRCYP2D6SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL4190714 | 0.78 | KDM4E (0.50) | TSHRCYP2D6SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL25917658 | 0.78 | TSHR (0.44) | TSHRCYP2D6SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL29608023 | 0.78 | EPHX2 (0.45) | TSHRCYP2D6SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL28028435 | 0.78 | EPHX2 (0.45) | TSHRCYP2D6SMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL27890078 | 0.77 | P2RX7 (0.35) | CYP2D6ALDH1A1PIM1 | |
| SCHEMBL19783211 | 0.76 | CYP2D6 (0.41) | CYP2D6ALDH1A1MCHR1PIM1TP53 | |
| SCHEMBL2416582 | 0.75 | ALDH1A1 (0.50) | TSHRCYP2D6SMN1; SMN2L3MBTL1NPC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |